ethyl 4-(4-ethanoylpiperazin-1-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(4-acetyl-1-piperazinyl)-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-acetylpiperazino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C19H21FN4O4 MolecularWeight: 388.392843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCN(CC2)C(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCN(CC2)C(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN4O4/c1-3-28-19(27)18-16(23-10-8-22(9-11-23)13(2)25)12-17(26)24(21-18)15-6-4-14(20)5-7-15/h4-7,12H,3,8-11H2,1-2H3